7-methyloctane-1,6-diol

C9H20O2 — CID 54253773

IUPAC7-methyloctane-1,6-diol
SMILESCC(C)C(O)CCCCCO
InChIInChI=1S/C9H20O2/c1-8(2)9(11)6-4-3-5-7-10/h8-11H,3-7H2,1-2H3
InChIKeyQYPIEMKOXWHEEM-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.56
Rot. Bonds6

About 7-methyloctane-1,6-diol

7-methyloctane-1,6-diol (PubChem CID 54253773) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 7-methyloctane-1,6-diol.

Molecular Properties

Compound Name7-methyloctane-1,6-diol
PubChem CID54253773
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name7-methyloctane-1,6-diol
SMILESCC(C)C(O)CCCCCO
InChIInChI=1S/C9H20O2/c1-8(2)9(11)6-4-3-5-7-10/h8-11H,3-7H2,1-2H3
InChIKeyQYPIEMKOXWHEEM-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-methyldecane-1,8-diol
CID 107094660
tridecane-1,4,5,13-tetrol
CID 57164237
dodecane-1,6,7,11-tetrol
CID 88790738
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
9-bromodecan-1-ol
CID 18177035
7,8-dimethylnonan-1-ol
CID 87272618
8-bromononan-1-ol
CID 18177005
nonane-1,2,3,9-tetrol
CID 87488161
10,11-dimethyldodecan-1-ol
CID 174615495
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493

Frequently Asked Questions

What is the IUPAC name of 7-methyloctane-1,6-diol?
The IUPAC name of 7-methyloctane-1,6-diol (CID 54253773) is 7-methyloctane-1,6-diol.
What is the SMILES notation for 7-methyloctane-1,6-diol?
The canonical SMILES for 7-methyloctane-1,6-diol is CC(C)C(O)CCCCCO.
What is the InChIKey of 7-methyloctane-1,6-diol?
The InChIKey is QYPIEMKOXWHEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(2)9(11)6-4-3-5-7-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 7-methyloctane-1,6-diol?
7-methyloctane-1,6-diol has a molecular weight of 160.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloctane-1,6-diol is sourced from PubChem (CID 54253773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).